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Compound Detail

CHEMBL5315502

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O=c1oc2ccc(Br)cc2c(Cl)c1-c1nc2cc(C3=NCCN3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5315502
Phase Preclinical
Structure Type MOL
InChI Key ZDMDQFDEVHDGDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
4.10
ALogP
5
HBA
2
HBD
83.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12BrClN4O2
MW 443.69
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine